3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

C26H21NO5 — CID 108658332

About 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (PubChem CID 108658332) has the molecular formula C26H21NO5 and a molecular weight of 427.46 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
• PubChem CID: 108658332
• Molecular Formula: C26H21NO5
• Molecular Weight: 427.46 g/mol
• Exact Mass: 427.14
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
• SMILES: CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(C)o2)cc1
• InChI: InChI=1S/C26H21NO5/c1-3-16-9-11-18(12-10-16)27-23(20-13-8-15(2)31-20)22(25(29)26(27)30)24(28)21-14-17-6-4-5-7-19(17)32-21/h4-14,23,29H,3H2,1-2H3
• InChIKey: ATFQNJWEZJDZSF-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 83.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.46
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (CID 108658332) is 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is CCc1ccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccc(C)o2)cc1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?

The InChIKey is ATFQNJWEZJDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO5/c1-3-16-9-11-18(12-10-16)27-23(20-13-8-15(2)31-20)22(25(29)26(27)30)24(28)21-14-17-6-4-5-7-19(17)32-21/h4-14,23,29H,3H2,1-2H3.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one has a molecular weight of 427.46 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108658332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).